1-heptyl-2-methylaziridine

C10H21N — CID 142378837

IUPAC1-heptyl-2-methylaziridine
SMILESCCCCCCCN1CC1C
InChIInChI=1S/C10H21N/c1-3-4-5-6-7-8-11-9-10(11)2/h10H,3-9H2,1-2H3
InChIKeyCQCNRIXNWRRPMH-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds6

About 1-heptyl-2-methylaziridine

1-heptyl-2-methylaziridine (PubChem CID 142378837) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-heptyl-2-methylaziridine.

Molecular Properties

Compound Name1-heptyl-2-methylaziridine
PubChem CID142378837
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-heptyl-2-methylaziridine
SMILESCCCCCCCN1CC1C
InChIInChI=1S/C10H21N/c1-3-4-5-6-7-8-11-9-10(11)2/h10H,3-9H2,1-2H3
InChIKeyCQCNRIXNWRRPMH-UHFFFAOYSA-N
XLogP2.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-decyl-2,4,5-trimethylpiperazine
CID 3030120
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
(2S,5S)-1-butyl-2,4,5-trimethylpiperazine
CID 121478340
3,7-dimethyl-1-octyl-1,4-diazepane
CID 64870958
(6-methyl-1-octylpiperidin-3-yl)methanamine
CID 55211233
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
1-decyl-3-ethyl-7-methyl-1,4-diazepane
CID 64869451
2-(chloromethyl)-4-hexyl-5-methylmorpholine
CID 81209823
2-(bromomethyl)-4-heptyl-5-methylmorpholine
CID 81209581
5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
1-butyl-2,5-dimethylpiperidine
CID 130702123

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-methylaziridine?
The IUPAC name of 1-heptyl-2-methylaziridine (CID 142378837) is 1-heptyl-2-methylaziridine.
What is the SMILES notation for 1-heptyl-2-methylaziridine?
The canonical SMILES for 1-heptyl-2-methylaziridine is CCCCCCCN1CC1C.
What is the InChIKey of 1-heptyl-2-methylaziridine?
The InChIKey is CQCNRIXNWRRPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-4-5-6-7-8-11-9-10(11)2/h10H,3-9H2,1-2H3.
What are the key properties of 1-heptyl-2-methylaziridine?
1-heptyl-2-methylaziridine has a molecular weight of 155.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-methylaziridine is sourced from PubChem (CID 142378837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).